Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 3/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | KDM1A | O60341 | 2/20 | 0.37 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | TERT | O14746 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 2/20 | 0.34 |
| ▸ | HTR2B | P41595 | 2/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.30 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1979379 | 1.00 | CYP19A1 (0.37) | CYP19A1TAAR1CYP2D6KDM1AKDM1B | |
| SCHEMBL13834855 | 1.00 | CYP19A1 (0.37) | CYP19A1TAAR1CYP2D6KDM1AKDM1B | |
| SCHEMBL6900041 | 1.00 | CYP19A1 (0.37) | CYP19A1TAAR1CYP2D6KDM1AKDM1B | |
| SCHEMBL6899312 | 0.80 | PSMB8 (0.39) | TAAR1CA2ADRA2AHTR2CHTR2B | |
| SCHEMBL2593064 | 0.79 | CYP19A1 (0.41) | CYP19A1TAAR1CYP2D6KDM1AKDM1B | |
| SCHEMBL31278211 | 0.79 | KDM1A (0.41) | CYP19A1TAAR1CYP2D6KDM1AKDM1B | |
| Hydrochloric Acid SCHEMBL30989938 | 0.77 | KDM1A (0.40) | CYP19A1TAAR1CYP2D6KDM1AKDM1B | |
| SCHEMBL6900223 | 0.77 | KDM1A (0.32) | KDM1AKDM1B | |
| SCHEMBL13834925 | 0.77 | KDM1A (0.32) | KDM1AKDM1B | |
| SCHEMBL13834753 | 0.74 | UGT2B17 (0.32) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2509950-A1 | 5-AMINO- 4-HYDROXYPENTOYL AMIDES | Janssen R&D Ireland (IE) | 2012-10-17 | — | — | EP | disclosed |
| WO-2011070131-A1 | 5-AMINO- 4-HYDROXYPENTOYL AMIDES | TIBOTEC PHARMACEUTICALS (IE) | 2011-06-16 | — | — | WO | disclosed |